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      Vibrational modes in small Agn, Aun clusters: A first principle calculation

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      Author
      Aktürk O.U.
      Gülseren O.
      Tomak, M.
      Date
      2009
      Source Title
      International Journal of Modern Physics B
      Print ISSN
      2179792
      Volume
      23
      Issue
      31
      Pages
      5819 - 5834
      Language
      English
      Type
      Article
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      Abstract
      Although the stable structures and other physical properties of small Agn and Aun, were investigated in the literature, phonon calculations are not done yet. In this work, we present plane-wave pseudopotential calculations based on density-functional formalism. The effect of using the generalized gradient approximation (GGA) and local density approximation (LDA) to determine the geometric and electronic structure and normal mode calculations of Agn and Aun, is studied up to eight atoms. Pure Aun and Agn clusters favor planar configurations. We calculated binding energy per atom. We have also calculated the normal mode calculations and also scanning tunneling microscope (STM) images for small clusters for the first time. © 2009 World Scientific Publishing Company.
      Keywords
      First principle calculation
      Nanocluster
      STM image
      Permalink
      http://hdl.handle.net/11693/22495
      Published Version (Please cite this version)
      http://dx.doi.org/10.1142/S0217979209053436
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